3-chloranyl-2-[2-chloranyl-4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]phenyl]sulfanyl-benzaldehyde

Systemtic Name: 3-chloranyl-2-[2-chloranyl-4-[3-(4-ethanoylpiperazin-1-yl)-3-oxidanylidene-prop-1-en-2-yl]phenyl]sulfanyl-benzaldehyde Openeye Name: 2-[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-chloro-phenyl]sulfanyl-3-chloro-benzaldehyde CAS Name: 2-[[4-[3-(4-acetyl-1-piperazinyl)-3-oxoprop-1-en-2-yl]-2-chlorophenyl]thio]-3-chlorobenzaldehyde IUPAC Name: 2-[4-[3-(4-acetylpiperazin-1-yl)-3-oxoprop-1-en-2-yl]-2-chlorophenyl]sulfanyl-3-chlorobenzaldehyde Traditional Name: 2-[[4-[1-(4-acetylpiperazine-1-carbonyl)vinyl]-2-chloro-phenyl]thio]-3-chloro-benzaldehyde Formula: C22H20Cl2N2O3S MolecularWeight: 463.3768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=CC=C3Cl)C=O)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=C(C=CC=C3Cl)C=O)Cl

InChI

InChI=1S/C22H20Cl2N2O3S/c1-14(22(29)26-10-8-25(9-11-26)15(2)28)16-6-7-20(19(24)12-16)30-21-17(13-27)4-3-5-18(21)23/h3-7,12-13H,1,8-11H2,2H3